Version2.1 2021-01-19T16:39:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COCC[NH+](Cc1[nH]c(=O)c2c3c(sc2n1)CCCC3)C[C@H](COCc4ccccc4)O C36156564 RHF 6-31G(d) (6D,7F) COCC[NH+](Cc1[nH]c(=O)c2c3c(sc2n1)CCCC3)C[C@H](COCc4ccccc4)O C01[X(C24H32N3O4S1)] 186 C1 548 COCC[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](COCc1ccccc1)O COCC[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](COCc1ccccc1)O COCC[NH+](C[C@@H](O)COCc1ccccc1)CC2=Nc3sc4CCCCc4c3C(=O)N2 InChIKey=JXKDIYXOJREDBC-GOSISDBHSA-O InChI=1S/C24H31N3O4S/c1-30-12-11-27(13-18(28)16-31-15-17-7-3-2-4-8-17)14-21-25-23(29)22-19-9-5-6-10-20(19)32-24(22)26-21/h2-4,7-8,18,28H,5-6,9-16H2,1H3,(H,25,26,29)/p+1/t18-/m1/s1 InChI=1/C24H31N3O4S/c1-30-12-11-27(13-18(28)16-31-15-17-7-3-2-4-8-17)14-21-25-23(29)22-19-9-5-6-10-20(19)32-24(22)26-21/h2-4,7-8,18,28H,5-6,9-16H2,1H3,(H,25,26,29)/p+1/t18-/m1/s1/fC24H32N3O4S/h25,27H/q+1 COCC[NH+](Cc1[nH]c(=O)c2c3c(sc2n1)CCCC3)C[C@H](COCc4ccccc4)O C01[X(C24H32N3O4S1)] 186 C01 548 COCC[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](COCc1ccccc1)O COCC[NH](CC1=N[C]2[C]([C]3=C(S2)CCCC3)C(=O)N1)C[C@H](COC[C]1[CH][CH][CH][CH][CH]1)O COCC[NH](C[C@@H](O)COC[C]1[CH][CH][CH][CH][CH]1)CC2=N[C]3SC4=C(CCCC4)[C]3C(=O)N2 InChIKey=RUGLOJGHTRFDAN-GOSISDBHSA-N InChI=1S/C24H32N3O4S/c1-30-12-11-27(13-18(28)16-31-15-17-7-3-2-4-8-17)14-21-25-23(29)22-19-9-5-6-10-20(19)32-24(22)26-21/h2-4,7-8,18,27-28H,5-6,9-16H2,1H3,(H,25,26,29)/t18-/m1/s1 InChI=1/C24H32N3O4S/c1-30-12-11-27(13-18(28)16-31-15-17-7-3-2-4-8-17)14-21-25-23(29)22-19-9-5-6-10-20(19)32-24(22)26-21/h2-4,7-8,18,27-28H,5-6,9-16H2,1H3,(H,25,26,29)/t18-/m1/s1/f/h25H 3380.1550872844 -1787.5894389 1-A 22452.6280 122 426 548 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 9.3834 11.1574 16.5849 19.0484 25.8461 32.6605 46.6719 56.2283 59.7321 90.6040 98.9178 105.1511 109.6375 113.6870 134.2083 145.5535 164.3842 168.5092 191.9888 197.0082 212.3441 225.0423 230.7700 260.5949 276.4222 289.2296 312.7950 324.0670 347.7763 358.6806 375.1501 379.0506 383.2782 397.3246 429.7634 443.0789 454.5290 466.2155 482.6843 496.7621 510.8012 531.6808 546.3222 556.9160 598.5786 613.4947 635.6305 645.7487 648.6175 667.0831 670.0256 680.7290 687.9119 700.9675 760.8770 769.0851 777.2979 846.3912 859.5664 871.3329 885.4061 907.0166 909.5449 913.5138 937.7425 957.8070 974.1864 999.8726 1010.1062 1012.8517 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3275.0343 3277.7451 3278.3109 3284.1482 3346.5890 3347.4807 3352.4092 3354.7429 3356.1885 3371.0560 3378.8373 3382.3532 3394.3581 3581.3856 3828.5771 4055.9528 4.9502 4.1235 6.3726 4.5473 4.4568 4.2440 4.6958 5.0328 5.3546 3.7939 2.3258 4.1564 3.5855 4.0870 3.4383 3.6558 4.7167 3.5754 3.6101 2.8644 2.4988 5.3630 2.5708 3.5550 3.1177 2.0267 2.4942 2.0753 3.9094 3.0490 3.3325 6.2903 3.2151 4.1637 4.7782 3.7560 2.9000 4.4080 3.4416 1.1239 4.7221 2.6188 3.8971 3.0779 3.7168 4.3737 3.3572 1.8619 4.2272 4.0565 4.6667 6.3092 3.8635 5.1120 3.3177 3.1264 1.9262 1.7559 3.2881 5.8681 1.9223 1.8412 3.1294 2.1023 2.1693 1.2480 2.9808 1.5351 4.3079 2.4147 1.6843 2.6389 2.0483 2.1575 1.8201 5.5626 2.9341 1.3679 2.6898 3.2849 3.0992 2.2242 1.3684 3.1911 4.1422 1.9193 2.4880 2.6822 1.8403 1.9095 1.8135 3.9052 2.2005 1.9686 1.1596 5.2337 2.7495 2.3308 1.5929 1.1690 4.8460 1.3678 1.4000 1.6681 2.6456 1.5099 1.6379 1.2807 1.2461 1.1433 1.3532 1.1980 1.2999 1.2917 1.9786 1.1982 1.2611 1.2759 2.4650 1.4742 1.4401 1.2559 1.5050 1.2594 1.3114 1.3090 3.1624 1.2740 1.3787 1.3885 1.4972 1.9408 1.1907 1.5026 1.0913 1.1738 1.2271 1.1350 1.1304 1.1517 1.0535 2.1059 1.1135 1.0813 1.1065 2.1858 1.1084 3.5297 1.1474 7.6904 5.2537 5.2936 8.3687 9.7909 1.0558 1.0580 1.0662 1.0726 1.0576 1.0672 1.0441 1.0923 1.0682 1.0974 1.1035 1.0968 1.1094 1.0950 1.1039 1.0665 1.1067 1.0660 1.0954 1.0676 1.1008 1.1027 1.1064 1.0887 1.0900 1.0916 1.1022 1.0955 1.0989 1.0768 1.0797 1.0663 0.0003 0.0003 0.0010 0.0010 0.0018 0.0027 0.0060 0.0094 0.0113 0.0183 0.0134 0.0271 0.0254 0.0311 0.0365 0.0456 0.0751 0.0598 0.0784 0.0655 0.0664 0.1600 0.0807 0.1422 0.1404 0.0999 0.1438 0.1284 0.2786 0.2311 0.2763 0.5325 0.2783 0.3873 0.5200 0.4344 0.3530 0.5645 0.4724 0.1634 0.7259 0.4362 0.6853 0.5624 0.7846 0.9699 0.7992 0.4574 1.0478 1.0636 1.2344 1.7226 1.0772 1.4799 1.1317 1.0895 0.6857 0.7411 1.4314 2.6249 0.8879 0.8925 1.5253 1.0336 1.1239 0.6746 1.6667 0.9043 2.5897 1.4595 1.0512 1.6543 1.3165 1.3873 1.2491 3.9100 2.0791 0.9789 1.9606 2.4212 2.2941 1.6733 1.0372 2.4542 3.2311 1.5232 1.9930 2.1967 1.5201 1.6602 1.6289 3.5390 2.0382 1.8474 1.0992 5.0280 2.6501 2.2961 1.5849 1.1693 4.8658 1.4069 1.4621 1.7498 2.7814 1.5973 1.7969 1.4475 1.4158 1.3022 1.5571 1.3900 1.5186 1.5382 2.3727 1.5232 1.6215 1.6626 3.2414 1.9752 1.9452 1.7332 2.0820 1.7604 1.8569 1.8669 4.5547 1.8588 2.0571 2.0794 2.3094 3.0123 1.8492 2.3407 1.7140 1.8476 1.9355 1.7934 1.7881 1.8277 1.6769 3.3548 1.7890 1.7422 1.8045 3.6127 1.8416 5.9576 1.9493 14.2610 9.9085 10.2710 16.8700 22.9607 6.2857 6.3707 6.4379 6.4840 6.4040 6.4772 6.3441 6.6380 6.4952 6.7495 6.8223 6.7964 6.8874 6.8493 6.9183 6.7319 6.9939 6.7478 6.9365 6.7844 7.2638 7.2801 7.3262 7.2188 7.2342 7.3088 7.4139 7.3840 7.4601 8.1374 9.3242 10.3350 0.2584 0.2105 0.3718 0.0309 0.1048 0.4408 0.5853 1.9660 1.5050 0.3528 5.0499 1.9689 1.3683 3.5015 1.5192 11.2010 2.4161 3.3367 4.1542 0.4643 6.3082 4.1035 2.9922 1.9855 0.2060 1.1493 2.4400 0.7484 0.7962 0.5378 5.2080 3.8269 1.5044 4.9210 11.2195 9.5861 0.1027 1.7617 10.7489 105.1827 1.1705 31.0703 4.2503 1.2460 3.6805 2.5294 1.6767 40.5917 29.0601 17.2295 6.5973 0.1170 3.6828 3.9133 25.1397 19.8428 26.8140 54.0844 8.2507 30.1667 2.2343 1.6301 14.2856 4.1862 37.0650 0.0299 24.6151 0.1399 12.7198 23.2059 1.6743 2.9743 30.4983 15.7203 8.9471 2.0831 38.9830 0.1234 36.5426 29.1200 15.6401 2.3378 0.7248 11.7340 77.3635 4.7968 15.4615 52.7615 1.0797 0.7981 0.6744 49.3534 4.6724 1.2773 1.9856 250.6874 123.5804 50.3605 40.5800 5.2777 33.8405 0.5952 16.7209 17.5456 31.7276 1.8020 66.0350 12.5654 4.8699 9.4553 8.3254 15.0106 18.6593 51.7275 75.5192 29.4426 84.7790 2.9531 22.7686 2.9345 5.5737 47.4832 9.3006 22.5310 29.1612 48.1675 7.2895 83.5072 13.6665 35.0966 86.0616 15.0271 3.6790 36.4300 2.2042 2.5106 2.8143 7.4234 6.0212 10.8855 12.0846 43.0530 0.4297 6.4945 7.0566 4.8917 1.3252 83.6452 13.0627 52.0724 0.9819 0.4921 282.5382 776.5703 28.2435 23.0935 21.4085 26.4426 56.2300 17.4366 54.3220 2.6337 28.6255 68.1654 34.0449 30.9850 41.6228 63.9282 51.5769 2.4462 44.3518 3.4489 18.8058 22.0815 2.2190 15.7965 6.6559 11.1954 8.5092 6.5405 2.2908 33.5363 17.0270 117.6461 105.8395 187.4201 1.4442 7.6880 1.4792 2.0382 2.0137 0.4472 2.0867 0.4493 0.1452 0.4853 0.2299 0.3321 0.7153 0.7578 2.3754 0.1824 0.8487 0.3020 0.7426 0.5037 0.9676 0.0969 1.4578 1.9091 0.6563 0.6334 1.4646 0.3305 0.6528 0.6652 1.4645 1.8374 1.7933 0.2733 3.5664 0.9277 0.0291 1.8838 0.9841 1.6756 2.4278 1.7917 1.7313 1.8571 4.2891 0.6186 2.1526 4.3865 3.1952 0.9639 8.6990 5.2925 0.7694 5.3829 1.1594 1.5267 0.3944 3.4974 2.0597 2.4146 2.4021 8.0553 6.6994 4.6874 4.5304 2.9114 11.0591 1.3459 11.3374 3.0553 3.4550 4.9695 4.9144 6.9942 4.3581 24.0593 7.2687 0.0028 10.1736 4.0749 4.2047 7.2245 0.9152 11.2188 16.0455 3.8503 9.0398 5.7306 0.1584 1.0358 4.8677 23.9767 3.2715 1.8224 2.4650 9.5169 12.0188 6.0656 2.0637 4.3362 10.1180 5.8794 5.0507 4.8985 9.4614 1.7606 1.4724 12.8870 2.9022 6.5439 6.6157 4.0105 20.4807 17.0123 6.5399 16.5157 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1.00783 1.00783 1.00783 1.00783 11754.6589 30994.4058 38123.1839 0.99994 0.01032 -0.00303 -0.01030 0.99993 0.00587 0.00309 -0.00584 0.99998 1 0.00737 0.00279 0.00227 0.15353 0.05823 0.04734 13.50 16.05 23.86 27.41 37.19 46.99 67.15 80.90 85.94 130.36 142.32 151.29 157.74 163.57 193.10 209.42 236.51 242.45 276.23 283.45 305.52 323.79 332.03 374.94 397.71 416.14 450.04 466.26 500.37 516.06 539.76 545.37 551.45 571.66 618.33 637.49 653.97 670.78 694.48 714.73 734.93 764.97 786.04 801.28 861.22 882.68 914.53 929.09 933.22 959.78 964.02 979.42 989.75 1008.54 1094.73 1106.54 1118.36 1217.77 1236.72 1253.65 1273.90 1304.99 1308.63 1314.34 1349.20 1378.07 1401.64 1438.59 1453.32 1457.27 1480.79 1484.10 1502.70 1503.05 1552.78 1571.52 1577.87 1585.68 1600.31 1609.22 1612.68 1625.78 1631.89 1643.81 1655.49 1669.81 1677.66 1696.33 1703.58 1747.78 1776.49 1784.39 1803.99 1815.80 1824.94 1837.23 1840.23 1860.44 1869.71 1874.66 1878.25 1900.98 1915.58 1919.76 1921.91 1927.93 1963.32 1992.79 1997.98 2000.43 2010.71 2019.12 2026.04 2045.51 2052.62 2113.37 2125.46 2139.76 2149.45 2169.69 2178.45 2202.03 2204.64 2216.11 2230.43 2238.53 2249.52 2264.13 2289.63 2293.84 2327.93 2335.17 2335.92 2339.47 2349.05 2351.67 2354.03 2356.16 2357.47 2361.27 2364.91 2365.87 2375.93 2379.26 2393.75 2409.80 2416.14 2435.21 2443.13 2552.51 2574.18 2610.94 2661.31 2870.44 4573.50 4599.53 4606.06 4608.68 4612.56 4617.90 4620.40 4620.80 4622.20 4648.54 4660.67 4666.00 4670.39 4688.02 4692.50 4709.24 4712.04 4715.94 4716.76 4725.16 4815.00 4816.28 4823.37 4826.73 4828.81 4850.20 4861.39 4866.45 4883.72 5152.82 5508.47 5835.61 0.586841 0.616044 0.616988 0.520052 -1787.002598 -1786.973395 -1786.972451 -1787.069387 3.251249D-04 MUNgauss RevisionA2.0 retrievium 19-Jan-2021 DUDE COCC[NH+](Cc1[nH]c(=O)c2c3c(sc2n1)CCCC3)C[C@H](COCc4ccccc4)O C36156564 RHF 6-31G(d) (6D,10F) C1 458.211354 |X|Y|Z| 124.845227 73.474112 38.311441 70.568615 26 6 7 8 16 21 3 1 1 |36.858105| |13.526913|73.516695| |8.067116|24.440323|36.858105| |5.217713|14.488683|12.491109|36.858105| |4.719986|12.777940|7.602776|12.694881|53.358707| |5.333112|15.031960|7.208555|9.341524|25.478469|0.500000| |4.411994|10.766544|6.332969|7.632798|17.446720|0.260569|36.858105| |4.004875|8.970864|4.624117|5.053962|10.506400|0.214534|12.601773|36.858105| |3.378308|6.999322|3.721602|3.891289|7.004712|0.139128|7.820108|14.092042|53.358707| |3.193802|6.532729|3.636501|3.775115|6.432022|0.122077|7.342875|9.260106|25.944281|0.500000| |2.936500|5.794261|3.009274|3.085275|5.285815|0.109746|5.042036|7.807326|18.415101|0.259981|36.858105| |2.578599|4.959386|2.632965|2.670301|4.371623|0.089180|4.072519|5.446760|11.536818|0.219627|15.987216|73.516695| |2.970476|5.837707|2.915213|2.998529|5.191451|0.113910|4.507233|7.012438|10.949067|0.161993|13.106264|14.177002|36.858105| |2.555645|4.857711|2.432902|2.478631|4.102862|0.090183|3.370252|4.599734|6.879485|0.115012|7.297792|10.900163|13.182718|36.858105| |2.552494|4.834106|2.381841|2.433398|4.002392|0.090232|3.120303|4.098844|5.593845|0.095069|5.130387|7.712077|8.258706|14.151415|36.858105| |3.041832|5.960571|2.843284|2.952575|5.030288|0.119634|3.724271|4.949695|5.971116|0.099065|4.833660|6.840097|7.434526|7.367519|10.895019|388.023441| |3.411091|6.961634|3.352607|3.512785|6.396281|0.149491|5.225065|8.523099|9.878026|0.146004|7.872859|9.524887|13.980750|8.130120|7.708699|78.752183|36.858105| |4.052929|9.013738|4.307236|4.695292|9.672817|0.237721|7.938507|15.021512|11.186334|0.164812|6.652469|8.365123|7.816366|5.194229|4.980741|49.878080|13.852987|53.358707| |2.202011|4.082730|2.034504|2.066583|3.287023|0.073323|2.508735|3.098416|4.237434|0.075281|3.728589|6.016219|5.062036|7.511144|12.651011|47.592890|4.824141|4.916580|36.858105| |2.005585|3.663968|1.851577|1.860199|2.909321|0.063709|2.266176|2.756620|3.928352|0.071483|3.539933|6.057286|4.455552|6.684672|7.658638|32.750758|3.915218|4.157843|12.422122|36.858105| |1.943436|3.592085|1.845280|1.869940|2.945631|0.063368|2.349887|2.887465|4.292775|0.078681|4.050570|7.259755|4.899916|7.597992|6.757299|29.739158|3.959562|4.213042|7.539229|12.451494|36.858105| |2.199144|4.099125|2.099821|2.121745|3.399882|0.072936|2.805808|3.595197|5.624164|0.100829|5.884982|10.703963|7.234704|12.609213|7.596272|33.485403|5.028877|5.141926|6.275718|7.517035|12.431242|36.858105| |3.498535|8.368714|4.949831|7.626626|17.255854|0.260149|7.738756|6.084266|6.063444|0.114237|3.548828|5.304912|3.551433|2.885074|2.849583|25.353204|4.323340|8.160724|2.371258|2.082661|2.123523|2.407640|36.858105| |3.297272|7.635188|4.380728|6.314463|10.343681|0.202494|4.993075|4.351625|4.613207|0.087038|2.888119|4.409217|3.007328|2.565966|2.629667|23.758127|3.671810|6.377871|2.254604|1.959934|1.957632|2.158037|12.470640|36.858105| |3.209303|7.330072|4.454792|6.564116|8.837915|0.165234|4.427278|3.710688|4.073152|0.078818|2.557305|3.982042|2.612616|2.258850|2.299808|20.146385|3.091154|5.225180|2.005089|1.769582|1.767811|1.938134|8.814062|17.542264|0.500000| |2.646602|5.761598|3.250903|4.228410|6.778393|0.135932|3.867685|3.647755|4.085937|0.077205|2.666381|4.131672|2.816442|2.477225|2.569344|22.763427|3.360830|5.409256|2.245137|1.942446|1.945657|2.104481|7.550761|12.514009|0.249640|36.858105| |2.495649|5.279716|2.942981|3.646388|5.422424|0.112944|3.153083|3.003079|3.439369|0.065334|2.296684|3.606440|2.451414|2.216856|2.340926|20.603590|2.896220|4.499360|2.099886|1.817001|1.791724|1.904191|5.167758|8.244323|0.207684|13.723396|73.516695| |2.122718|4.355898|2.418518|2.880670|4.265772|0.088659|2.629607|2.573474|3.044613|0.058109|2.083905|3.319144|2.232906|2.070078|2.199444|18.809172|2.575844|3.835344|2.018234|1.752112|1.727381|1.804262|3.905413|5.230430|0.135691|8.036469|23.923673|36.858105| |1.999250|4.010193|2.214152|2.554289|3.649900|0.076790|2.272564|2.222530|2.658880|0.050996|1.837368|2.952839|1.970999|1.854894|1.984889|16.777952|2.252589|3.306915|1.856854|1.621718|1.580208|1.633401|3.143262|4.085071|0.111536|5.199940|14.239350|12.660031|36.858105| |1.946505|3.838357|2.075308|2.330800|3.351845|0.071951|2.118936|2.116303|2.547708|0.048568|1.788080|2.876557|1.946694|1.862990|2.027300|17.137840|2.225205|3.195258|1.928134|1.671470|1.606414|1.640507|2.791593|3.494452|0.093168|4.196808|10.248491|7.578990|13.732759|36.858105| |1.809102|3.501205|1.895618|2.084737|2.934310|0.062888|1.877139|1.867734|2.272597|0.043601|1.602184|2.599721|1.734643|1.673541|1.817000|15.088013|1.958339|2.792756|1.750739|1.535074|1.468092|1.490629|2.375225|2.892232|0.079042|3.281559|7.535499|5.025756|7.908953|13.738697|36.858105| |1.731602|3.340397|1.837155|2.018616|2.779662|0.058806|1.778845|1.742044|2.128269|0.041196|1.490319|2.432040|1.591637|1.526855|1.636513|13.441987|1.781754|2.563858|1.571343|1.395356|1.343569|1.370625|2.240256|2.718300|0.076658|3.025117|6.879995|4.443300|6.845804|7.940607|13.763105|36.858105| |1.768087|3.451031|1.931021|2.158143|2.941663|0.061339|1.866146|1.799084|2.190854|0.042629|1.517818|2.476552|1.604082|1.521673|1.613187|13.259709|1.794854|2.619263|1.531333|1.365424|1.327530|1.365858|2.409218|2.969044|0.085941|3.341566|7.774909|5.032195|7.910694|6.883073|7.942011|13.731418|36.858105| |1.895018|3.770880|2.120921|2.433190|3.360828|0.069620|2.102154|2.017195|2.433312|0.047220|1.672585|2.711666|1.766910|1.659665|1.754817|14.585089|1.993078|2.941533|1.645804|1.458716|1.427087|1.478200|2.845189|3.628968|0.104973|4.319805|10.858252|7.588326|13.703052|7.955819|6.881725|7.939922|13.772192|36.858105| |3.824103|8.952191|4.654769|6.062660|9.853143|0.240957|4.772619|4.411604|4.589037|0.084583|2.931067|4.422610|3.165909|2.721025|2.865376|27.223757|4.025883|7.006734|2.449690|2.092706|2.045380|2.247205|8.142072|13.656435|0.259010|7.933086|12.567099|4.753943|4.008197|3.647920|3.045872|2.799329|2.951659|3.486639|73.516695| |17.566016|16.454218|7.163743|4.789835|5.569119|0.124902|3.708357|3.329446|3.893439|0.076086|2.522901|4.003367|2.555335|2.246214|2.263063|18.983064|2.902321|4.600477|1.992731|1.821829|1.760437|1.960912|3.180942|3.111940|0.086521|2.517793|4.313989|2.069598|1.980117|1.927735|1.812223|1.751772|1.790596|1.901078|6.380567|0.500000| |17.547669|16.427202|7.184549|4.686101|5.837069|0.127953|4.343575|3.940910|4.718478|0.093150|3.004659|4.764154|2.947021|2.528434|2.469483|20.213223|3.263558|5.179728|2.131158|1.976697|1.935936|2.211453|3.213904|2.940879|0.079719|2.407600|3.998268|1.939657|1.821029|1.769647|1.648940|1.583903|1.620095|1.733552|5.821325|0.298913|0.500000| |17.662569|16.863442|5.855855|4.390833|5.853965|0.140894|4.054068|3.958882|4.567164|0.086080|3.012644|4.669330|3.152195|2.749753|2.796463|24.020700|3.668665|5.734408|2.412723|2.177197|2.074283|2.338659|3.307903|3.165321|0.083710|2.598120|4.391456|2.120625|2.006349|1.983026|1.844561|1.746751|1.762254|1.881242|6.716613|0.299550|0.299413|0.500000| |7.073929|16.540695|17.514590|8.732610|8.749715|0.162113|6.485917|4.652937|5.345192|0.110501|3.124664|4.930966|2.920857|2.423369|2.323196|19.139536|3.245461|5.559996|1.982381|1.831616|1.845473|2.120916|4.380981|3.721606|0.104160|2.889314|4.614151|2.182723|1.995894|1.876266|1.721078|1.670759|1.753184|1.917171|6.779213|0.169789|0.209531|0.145616|0.500000| |7.263201|16.467412|17.532320|8.964202|7.628271|0.150572|4.698688|3.665645|4.179581|0.084035|2.569938|4.074764|2.511199|2.151555|2.126748|17.835564|2.848247|4.769506|1.852615|1.694355|1.679595|1.883520|4.158086|3.947854|0.116626|3.002685|4.991273|2.323038|2.169192|2.032044|1.880200|1.844438|1.944970|2.113399|7.444916|0.215275|0.177753|0.146980|0.302676|0.500000| |4.236037|10.343639|8.759971|17.606908|12.291327|0.180886|6.930152|4.533010|5.020785|0.103225|2.919171|4.586737|2.763032|2.300155|2.229908|18.677070|3.128420|5.493568|1.910251|1.740871|1.769900|2.005342|6.918788|5.543840|0.168260|3.964634|6.028737|2.736187|2.418230|2.182364|1.960079|1.918242|2.072120|2.338731|8.637957|0.110710|0.111620|0.100259|0.217117|0.203753|0.500000| |4.801787|12.487113|8.923941|17.705589|12.524879|0.227259|5.634011|4.239632|4.531897|0.088590|2.748923|4.257007|2.747971|2.326291|2.331693|20.357611|3.249606|5.725507|2.008385|1.793868|1.785068|1.993149|7.251219|7.478116|0.239394|4.707793|7.488790|3.210251|2.870976|2.589849|2.310461|2.248188|2.424428|2.751437|13.113610|0.129357|0.115135|0.115705|0.174281|0.226454|0.300083|0.500000| |5.149958|12.387323|7.588472|7.467833|12.340781|0.210485|17.665466|9.002404|9.379205|0.193217|4.662448|6.946447|4.095766|3.141649|2.898432|23.974840|4.561629|8.584417|2.365552|2.171434|2.239100|2.672470|5.654303|4.143932|0.106991|3.261401|4.929616|2.341657|2.072168|1.948415|1.752053|1.671695|1.747318|1.941042|7.318754|0.116744|0.148666|0.125781|0.248291|0.148657|0.189416|0.148525|0.500000| |3.612555|8.287167|5.189000|6.507910|12.350006|0.182748|17.603993|8.826986|9.640742|0.207830|4.687559|7.052791|4.029279|3.093028|2.832779|23.159133|4.408379|8.160541|2.317706|2.121788|2.235644|2.652294|7.453266|4.704038|0.118983|3.803575|5.430081|2.582939|2.212994|2.039768|1.806752|1.724003|1.824138|2.063842|7.432550|0.087727|0.100414|0.092256|0.152320|0.114269|0.190339|0.138710|0.302026|0.500000| |2.041502|3.824094|1.929643|1.989788|3.163281|0.070011|2.383813|2.897989|3.930312|0.070456|3.383006|5.495539|4.436787|6.065172|8.939442|42.342784|4.337751|4.579029|17.519090|8.804778|6.580087|5.283355|2.338869|2.249115|0.055453|2.292418|3.825287|2.101836|1.928194|2.012996|1.818505|1.620893|1.574869|1.696195|4.300788|0.051802|0.054631|0.061465|0.052002|0.049051|0.051376|0.054136|0.061769|0.061943|0.500000| |2.253389|4.121538|2.030368|2.041129|3.204170|0.072289|2.402370|2.907388|3.885144|0.069498|3.297936|5.305230|4.343348|5.747378|8.898496|45.449517|4.392129|4.655082|17.549601|8.798603|5.505906|4.846796|2.289994|2.216179|0.055024|2.192174|3.704785|1.999655|1.865671|1.959372|1.793292|1.604080|1.550763|1.654444|4.359292|0.056916|0.060088|0.069550|0.054559|0.051704|0.052038|0.055558|0.063537|0.061123|0.303626|0.500000| |1.819836|3.311103|1.686042|1.696760|2.621533|0.057126|2.018478|2.397791|3.387140|0.062574|2.962664|5.130528|3.580163|4.897196|5.577783|27.248420|3.251980|3.588389|8.853416|17.563721|8.807800|5.481996|1.893681|1.804694|0.045566|1.806083|3.035484|1.664904|1.554012|1.611819|1.490145|1.353989|1.318618|1.400708|3.413585|0.046418|0.049734|0.054658|0.046237|0.043241|0.044305|0.045773|0.053825|0.052911|0.219662|0.206923|0.500000| |2.085082|3.748525|1.880684|1.859796|2.882047|0.063318|2.255919|2.730362|3.903096|0.071356|3.501459|6.030289|4.318205|6.163212|6.688728|30.888454|3.795719|4.085430|8.848825|17.527586|8.850737|6.913163|2.025808|1.903260|0.048020|1.858790|3.101343|1.668773|1.554251|1.600000|1.478767|1.351096|1.322666|1.407242|3.637179|0.052451|0.057464|0.063379|0.051907|0.047848|0.048215|0.049645|0.060952|0.058229|0.174040|0.219714|0.303179|0.500000| |1.849135|3.456479|1.791134|1.841407|2.911984|0.062280|2.303126|2.809755|4.135622|0.076037|3.818045|6.784094|4.574393|6.619336|6.201068|28.880891|3.808949|4.107744|6.942438|8.863899|17.517519|8.845162|2.142986|1.983238|0.049595|2.004773|3.274371|1.793851|1.631592|1.658101|1.507757|1.375516|1.359636|1.466732|3.647875|0.046784|0.050867|0.054434|0.049539|0.045374|0.048626|0.049065|0.060180|0.061525|0.196606|0.140060|0.211191|0.173758|0.500000| |1.799236|3.294354|1.706665|1.718604|2.667622|0.056915|2.132480|2.561900|3.841282|0.072071|3.552353|6.627361|4.017820|5.552968|4.937892|24.190876|3.300876|3.656252|5.493400|8.821142|17.563245|8.854583|1.917860|1.771953|0.044898|1.758789|2.894990|1.575052|1.450481|1.472658|1.355946|1.248515|1.234389|1.320426|3.272140|0.045541|0.050166|0.053069|0.047710|0.043422|0.045495|0.045551|0.057066|0.056816|0.138076|0.123261|0.214747|0.210869|0.303485|0.500000| |2.244967|4.110098|2.099731|2.081425|3.285046|0.070428|2.734881|3.449400|5.464401|0.099930|5.627985|10.755710|6.330521|8.949019|6.104807|29.667876|4.541043|4.827484|5.260164|6.537738|8.800867|17.527398|2.277856|2.041441|0.051421|1.962928|3.177029|1.684360|1.537485|1.543304|1.412897|1.306610|1.302522|1.402398|3.795925|0.055437|0.063537|0.066493|0.059480|0.052403|0.054661|0.054037|0.074085|0.071414|0.120790|0.122119|0.137425|0.194551|0.174028|0.219860|0.500000| |2.097292|3.948777|2.060252|2.104248|3.376667|0.071084|2.829953|3.598422|5.853860|0.107344|6.248492|12.509820|6.688427|8.912582|5.796382|29.082520|4.626260|4.949395|4.855196|5.499557|8.799474|17.594605|2.420422|2.141291|0.053554|2.100172|3.346184|1.787921|1.607431|1.600252|1.450842|1.340214|1.343812|1.459722|3.886580|0.052132|0.058892|0.060994|0.058229|0.051296|0.055928|0.054621|0.074350|0.075979|0.122871|0.108171|0.123146|0.139693|0.219637|0.206639|0.305372|0.500000| |3.232499|7.437451|4.161988|5.617769|12.494826|0.224937|7.444398|7.062674|6.931994|0.125385|4.091100|5.965105|4.174095|3.318991|3.262497|29.385897|5.194715|9.887616|2.654695|2.303773|2.371386|2.712138|17.668740|8.856104|0.174460|7.230335|8.662223|3.878936|3.072451|2.778971|2.343973|2.175955|2.307378|2.716944|12.337391|0.080621|0.083518|0.087381|0.106098|0.097622|0.143453|0.146695|0.146842|0.200080|0.073165|0.070117|0.057752|0.061536|0.067048|0.058792|0.070026|0.076126|0.500000| |3.142259|7.263055|4.578550|7.014275|12.328525|0.181503|6.958648|5.204855|5.625650|0.111354|3.287474|5.060789|3.167951|2.608118|2.534032|21.543331|3.653455|6.487524|2.141531|1.916627|1.977087|2.236128|17.610495|8.765375|0.219977|6.455012|8.145367|3.610698|2.927203|2.565662|2.209363|2.118618|2.308054|2.721902|10.356971|0.080634|0.082234|0.081257|0.117471|0.109659|0.209493|0.179261|0.147616|0.219945|0.058877|0.057195|0.048707|0.051813|0.055585|0.050119|0.059034|0.063312|0.299859|0.500000| |2.590597|5.580732|3.057472|3.835939|6.497508|0.134701|3.897645|3.914703|4.389633|0.081289|2.917930|4.471183|3.160292|2.785140|2.920285|26.337851|3.830364|6.022547|2.525894|2.149645|2.156201|2.329514|6.962453|8.849953|0.174752|17.501441|16.542625|7.204938|4.754471|4.103238|3.182528|2.850420|3.042316|3.812329|12.627410|0.067475|0.065820|0.071882|0.076611|0.077294|0.098950|0.113648|0.090128|0.105478|0.072417|0.067867|0.055294|0.056514|0.062268|0.053560|0.059507|0.064508|0.219991|0.159478|0.500000| |2.410080|5.181999|3.013026|3.919246|6.089660|0.116261|3.647593|3.376418|3.897791|0.075183|2.537869|3.995294|2.614506|2.306211|2.349989|20.053830|3.017577|4.788829|2.068354|1.819226|1.845681|1.995846|6.783112|8.801294|0.216278|17.492096|16.474900|7.090007|4.695613|3.720900|2.987937|2.827861|3.190249|4.130636|10.132792|0.063970|0.061946|0.065041|0.076029|0.077885|0.107487|0.118027|0.085845|0.104219|0.058814|0.055670|0.047173|0.048310|0.053054|0.046690|0.051769|0.056014|0.179415|0.186842|0.299514|0.500000| |2.086319|4.259310|2.326563|2.734993|4.171596|0.087864|2.626062|2.649122|3.150132|0.059538|2.188636|3.474726|2.383361|2.232266|2.400270|20.604787|2.757514|4.016098|2.209736|1.895424|1.865117|1.934350|3.795128|4.802467|0.118243|7.283893|16.530954|17.544611|8.883226|7.241216|4.754403|3.980783|4.197487|5.622914|8.062895|0.055925|0.053140|0.058554|0.058786|0.061360|0.071727|0.082799|0.064583|0.071352|0.064774|0.060559|0.050078|0.049675|0.054254|0.046927|0.049675|0.053147|0.109765|0.095911|0.218773|0.174602|0.500000| |1.980093|4.053253|2.293647|2.745591|4.027461|0.081560|2.527853|2.447185|2.936247|0.056684|2.004315|3.222367|2.112586|1.955730|2.047334|17.101814|2.392618|3.560259|1.880855|1.654472|1.649575|1.725239|3.731245|4.753169|0.127845|7.223722|16.566556|17.538719|8.872123|5.725752|4.237137|3.979102|4.694925|7.028249|7.243539|0.053671|0.050817|0.054468|0.058190|0.061332|0.074241|0.083885|0.062555|0.070437|0.054438|0.051357|0.043755|0.043745|0.047738|0.042012|0.044769|0.047936|0.102599|0.100025|0.175674|0.212458|0.301114|0.500000| |1.984381|3.912152|2.085234|2.331773|3.429665|0.074516|2.185070|2.226577|2.679149|0.050628|1.898769|3.040393|2.098543|2.024854|2.235371|19.080825|2.414999|3.416583|2.135250|1.825271|1.742904|1.769654|2.852319|3.507975|0.090368|4.240382|9.786032|7.016915|8.911369|17.698952|8.925641|5.650160|4.955811|5.649219|6.655226|0.054039|0.050120|0.056734|0.052510|0.056079|0.060212|0.071101|0.055523|0.058080|0.062504|0.060383|0.048912|0.048218|0.050180|0.044094|0.045938|0.047728|0.080701|0.071792|0.121753|0.102317|0.220367|0.145964|0.500000| |1.747172|3.341119|1.791645|1.941457|2.741850|0.059161|1.774688|1.784875|2.185633|0.041855|1.555461|2.530460|1.694436|1.652991|1.808697|14.912396|1.904961|2.679815|1.765471|1.546929|1.467003|1.477114|2.184893|2.600556|0.070400|2.893356|6.356349|4.097958|5.635935|8.917105|17.721905|8.915548|5.645663|4.956903|4.947582|0.048587|0.044315|0.049904|0.045389|0.049312|0.050562|0.059190|0.046257|0.047258|0.051051|0.050621|0.041948|0.041407|0.041812|0.037677|0.038925|0.039743|0.060413|0.056308|0.079637|0.073184|0.112995|0.097737|0.215640|0.500000| |1.627877|3.102378|1.706062|1.848730|2.526478|0.053425|1.633254|1.600922|1.970044|0.038255|1.385017|2.271942|1.475461|1.422879|1.522993|12.376402|1.639336|2.345252|1.472884|1.316834|1.265117|1.285963|2.005443|2.383842|0.067454|2.593539|5.678789|3.552582|4.938223|5.646145|8.917946|17.721838|8.908082|5.647390|4.384615|0.045984|0.041511|0.045663|0.043314|0.047847|0.048932|0.056821|0.042980|0.043970|0.042104|0.041908|0.035631|0.035534|0.035888|0.032798|0.034187|0.034891|0.054126|0.052943|0.068385|0.067915|0.090597|0.090575|0.124233|0.214865|0.500000| |1.682670|3.264046|1.845325|2.049537|2.751912|0.056903|1.757901|1.681542|2.060297|0.040353|1.424807|2.337382|1.493177|1.415451|1.489980|12.126250|1.657552|2.421767|1.415580|1.272971|1.241582|1.278993|2.231865|2.700787|0.079552|2.966288|6.612638|4.102705|5.635210|4.957544|5.647365|8.907031|17.721236|8.927362|4.724174|0.047631|0.043041|0.046304|0.046761|0.052080|0.055198|0.063766|0.046048|0.047971|0.040289|0.039779|0.034181|0.034365|0.035245|0.032215|0.034019|0.035037|0.058973|0.060188|0.074697|0.080290|0.096575|0.111152|0.107577|0.124114|0.214770|0.500000| 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